2QEG
B-DNA with 7-deaza-dG modification
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.185, 40.328, 65.686 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.360 - 1.600 |
| R-factor | 0.18855 |
| Rwork | 0.182 |
| R-free | 0.25957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 355d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.618 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.360 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.049 | 0.118 |
| Number of reflections | 8678 | |
| Completeness [%] | 96.4 | 86.7 |
| Redundancy | 6.2 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | Droplets containing 0.6 mM oligonucleotide, 5% 2-methyl-2,4-pentanediol (MPD), 20 mM sodium cacodylate (pH 6.0), 6 mM spermine tetrahydrochloride, 40 mM KCl and 10 mM MgCl2 were equilibrated against a reservoir of 35% MPD., VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | spermine tetrahydrochloride | ||
| 4 | 1 | 1 | KCl | ||
| 5 | 1 | 1 | MgCl2 | ||
| 6 | 1 | 2 | MPD |
